[gmx-users] How can i install DSSP for gromacs on centos6?

Homa rooz ha.roozbahany at gmail.com
Fri May 22 10:08:55 CEST 2015

Hi there

I tried to execute dssp for gromacs 4.5.7 by following this instruction:

#sudo wget ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64
-O /usr/local/bin/dssp

#sudo chmod a+x /usr/local/bin/dssp

#export DSSP=/usr/local/bin/dssp

then I run g_do_dssp and I got this error:


Program g_do_dssp, VERSION 4.5.7
Source code file: /builddir/build/BUILD/gromacs-4.5.7/src/tools/do_dssp.c,
line: 572

Fatal error:
Failed to execute command: /usr/local/bin/dssp -na ddKnNFex ddYd8PhB >
/dev/null 2> /dev/null
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

It also makes some files like "ddYd8PhB"!

I have tried two different binary file but it didn't work. In addition
there is a binary "g_do_dssp" from gromacs package . How can I point it to
export dssp?

plz help me to fix that problem

Homa Ahmadi
Shahed University
Faculty of Basic Sciences
Alternative email> h.ahmadi at shahed.ac.ir <h.ahmadi at ast.ui.ac.ir>

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